2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol

C11H16O5S — CID 116852786

IUPAC2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol
SMILESCOc1cc(C)c(S(=O)(=O)CCO)cc1OC
InChIInChI=1S/C11H16O5S/c1-8-6-9(15-2)10(16-3)7-11(8)17(13,14)5-4-12/h6-7,12H,4-5H2,1-3H3
InChIKeyNIUXRGPHHOIVOX-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.78
Rot. Bonds5

About 2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol

2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol (PubChem CID 116852786) has the molecular formula C11H16O5S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol
PubChem CID116852786
Molecular FormulaC11H16O5S
Molecular Weight260.31 g/mol
Exact Mass260.07
IUPAC Name2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol
SMILESCOc1cc(C)c(S(=O)(=O)CCO)cc1OC
InChIInChI=1S/C11H16O5S/c1-8-6-9(15-2)10(16-3)7-11(8)17(13,14)5-4-12/h6-7,12H,4-5H2,1-3H3
InChIKeyNIUXRGPHHOIVOX-UHFFFAOYSA-N
XLogP0.78
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium
CID 20568681
3-(2,4,5-trimethylphenyl)sulfonylpropan-1-ol
CID 116853215
4,5-dimethoxy-2-methylbenzenesulfonyl fluoride
CID 82475781
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
3-(4-methoxy-2,5-dimethylphenyl)sulfonylpropanenitrile
CID 28753127
2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline
CID 54414311
3-(2-hydroxyethylsulfonyl)-4-methoxybenzoic acid
CID 43140684
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43245212
3-(2,5-dimethoxy-4-methylphenyl)sulfonylpropanenitrile
CID 116855325
3-(2-hydroxyethylsulfonyl)-4-methylbenzonitrile
CID 138630803
(2-methoxy-4,5-dimethylphenyl)sulfonylmethanethiol
CID 117036874

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol?
The IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol (CID 116852786) is 2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol.
What is the SMILES notation for 2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol?
The canonical SMILES for 2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol is COc1cc(C)c(S(=O)(=O)CCO)cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol?
The InChIKey is NIUXRGPHHOIVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5S/c1-8-6-9(15-2)10(16-3)7-11(8)17(13,14)5-4-12/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol?
2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol has a molecular weight of 260.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol is sourced from PubChem (CID 116852786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).